tert-butylsulfinylmethylcyclopropane

C8H16OS — CID 545748

IUPACtert-butylsulfinylmethylcyclopropane
SMILESCC(C)(C)S(=O)CC1CC1
InChIInChI=1S/C8H16OS/c1-8(2,3)10(9)6-7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyPJDVFONMBLXSIM-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.94
Rot. Bonds2

About tert-butylsulfinylmethylcyclopropane

tert-butylsulfinylmethylcyclopropane (PubChem CID 545748) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is tert-butylsulfinylmethylcyclopropane.

Molecular Properties

Compound Nametert-butylsulfinylmethylcyclopropane
PubChem CID545748
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Nametert-butylsulfinylmethylcyclopropane
SMILESCC(C)(C)S(=O)CC1CC1
InChIInChI=1S/C8H16OS/c1-8(2,3)10(9)6-7-4-5-7/h7H,4-6H2,1-3H3
InChIKeyPJDVFONMBLXSIM-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butylsulfinylmethylcyclopropane?
The IUPAC name of tert-butylsulfinylmethylcyclopropane (CID 545748) is tert-butylsulfinylmethylcyclopropane.
What is the SMILES notation for tert-butylsulfinylmethylcyclopropane?
The canonical SMILES for tert-butylsulfinylmethylcyclopropane is CC(C)(C)S(=O)CC1CC1.
What is the InChIKey of tert-butylsulfinylmethylcyclopropane?
The InChIKey is PJDVFONMBLXSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2,3)10(9)6-7-4-5-7/h7H,4-6H2,1-3H3.
What are the key properties of tert-butylsulfinylmethylcyclopropane?
tert-butylsulfinylmethylcyclopropane has a molecular weight of 160.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylsulfinylmethylcyclopropane is sourced from PubChem (CID 545748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).